N-[2-(4-ethoxy-3-methylphenyl)ethyl]acetamide

C13H19NO2 — CID 110788838

IUPACN-[2-(4-ethoxy-3-methylphenyl)ethyl]acetamide
SMILESCCOc1ccc(CCNC(C)=O)cc1C
InChIInChI=1S/C13H19NO2/c1-4-16-13-6-5-12(9-10(13)2)7-8-14-11(3)15/h5-6,9H,4,7-8H2,1-3H3,(H,14,15)
InChIKeyNBOWKWKMAVWJQJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.07
Rot. Bonds5

About N-[2-(4-ethoxy-3-methylphenyl)ethyl]acetamide

N-[2-(4-ethoxy-3-methylphenyl)ethyl]acetamide (PubChem CID 110788838) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[2-(4-ethoxy-3-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-ethoxy-3-methylphenyl)ethyl]acetamide
PubChem CID110788838
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-[2-(4-ethoxy-3-methylphenyl)ethyl]acetamide
SMILESCCOc1ccc(CCNC(C)=O)cc1C
InChIInChI=1S/C13H19NO2/c1-4-16-13-6-5-12(9-10(13)2)7-8-14-11(3)15/h5-6,9H,4,7-8H2,1-3H3,(H,14,15)
InChIKeyNBOWKWKMAVWJQJ-UHFFFAOYSA-N
XLogP2.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-3-[2-(4-ethoxy-3-methylphenyl)ethyl]urea
CID 110775842
N-[2-(4-ethoxy-3-methylphenyl)ethyl]-2-(methylamino)acetamide
CID 115152025
4-[2-(4-ethoxy-3-methylphenyl)ethylamino]butan-2-one
CID 115235921
3-amino-N-[2-(4-ethoxy-3-methylphenyl)ethyl]butanamide
CID 115154337
N-(2-acetamidoethyl)-4-ethoxy-3-methylbenzamide
CID 110762173
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid
CID 16638088
N'-[2-(4-ethoxy-3-methylphenyl)ethyl]ethane-1,2-diamine
CID 115195419
2-acetamido-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 78778592
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;trihydrate
CID 70552532
3-(4-ethoxy-3-methylphenyl)-N-methylpropan-1-amine
CID 95439947
4-(4-ethoxy-3-methylphenyl)-2-methylbutanoic acid
CID 116926908

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxy-3-methylphenyl)ethyl]acetamide?
The IUPAC name of N-[2-(4-ethoxy-3-methylphenyl)ethyl]acetamide (CID 110788838) is N-[2-(4-ethoxy-3-methylphenyl)ethyl]acetamide.
What is the SMILES notation for N-[2-(4-ethoxy-3-methylphenyl)ethyl]acetamide?
The canonical SMILES for N-[2-(4-ethoxy-3-methylphenyl)ethyl]acetamide is CCOc1ccc(CCNC(C)=O)cc1C.
What is the InChIKey of N-[2-(4-ethoxy-3-methylphenyl)ethyl]acetamide?
The InChIKey is NBOWKWKMAVWJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-16-13-6-5-12(9-10(13)2)7-8-14-11(3)15/h5-6,9H,4,7-8H2,1-3H3,(H,14,15).
What are the key properties of N-[2-(4-ethoxy-3-methylphenyl)ethyl]acetamide?
N-[2-(4-ethoxy-3-methylphenyl)ethyl]acetamide has a molecular weight of 221.30 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxy-3-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 110788838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).